# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = CoTi3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 6.407447695e+02 nan nan 0.92 5.833978991e+02 nan nan 0.94 5.290191394e+02 nan nan 0.96 4.782548639e+02 nan nan 0.98 4.314214420e+02 6.124863256e+02 nan 1.00 3.886047791e+02 5.626624661e+02 nan 1.02 3.497342928e+02 5.158030978e+02 5.974045543e+02 1.04 3.146374167e+02 4.718684482e+02 5.502796734e+02 1.06 2.830793699e+02 4.310311673e+02 5.058651653e+02 1.08 2.547073817e+02 3.931053761e+02 4.640191408e+02 1.10 2.291244795e+02 3.577299329e+02 4.243495971e+02 1.12 2.061255474e+02 3.249912964e+02 3.871394092e+02 1.14 1.854984125e+02 2.948911836e+02 3.525414994e+02 1.16 1.670291556e+02 2.673620246e+02 3.205979043e+02 1.18 1.505094533e+02 2.422898539e+02 2.912716105e+02 1.20 1.357413214e+02 2.195314941e+02 2.644709852e+02 1.22 1.225399604e+02 1.989273021e+02 2.400683726e+02 1.24 1.107352333e+02 1.803104766e+02 2.179140953e+02 1.26 1.001721793e+02 1.635137303e+02 1.978468773e+02 1.28 9.071086388e+01 1.483739412e+02 1.797014726e+02 1.30 8.222578774e+01 1.347352736e+02 1.633141308e+02 1.32 7.460502264e+01 1.224511492e+02 1.485264008e+02 1.34 6.774919047e+01 1.113853627e+02 1.351876629e+02 1.36 6.157037386e+01 1.014125737e+02 1.231567036e+02 1.38 5.599101575e+01 9.241834923e+01 1.123025707e+02 1.40 5.094284958e+01 8.429889363e+01 1.025049045e+02 1.42 4.636588522e+01 7.696056940e+01 9.365388948e+01 1.44 4.220746626e+01 7.031928334e+01 8.564993888e+01 1.46 3.842140665e+01 6.429979928e+01 7.840319872e+01 1.48 3.496720901e+01 5.883501682e+01 7.183293109e+01 1.50 3.180936372e+01 5.386524683e+01 6.586684690e+01 1.52 2.891672513e+01 4.933750642e+01 6.044041923e+01 1.54 2.626195998e+01 4.520484516e+01 5.549619419e+01 1.56 2.382106213e+01 4.142571304e+01 5.098312063e+01 1.58 2.157292768e+01 3.796337554e+01 4.685591154e+01 1.60 1.949898387e+01 3.478537624e+01 4.307444280e+01 1.62 1.758286623e+01 3.186304914e+01 3.960319684e+01 1.64 1.581013815e+01 2.917107839e+01 3.641075170e+01 1.66 1.416804759e+01 2.668710292e+01 3.346931545e+01 1.68 1.264531643e+01 2.439136417e+01 3.075430625e+01 1.70 1.123195799e+01 2.226639278e+01 2.824397489e+01 1.72 9.919118981e+00 2.029673117e+01 2.591906732e+01 1.74 8.698942641e+00 1.846868914e+01 2.376252526e+01 1.76 7.564449956e+00 1.677012786e+01 2.175922038e+01 1.78 6.509436456e+00 1.519025167e+01 1.989572003e+01 1.80 5.528382413e+00 1.371940596e+01 1.816008121e+01 1.82 4.616371937e+00 1.234893359e+01 1.654166944e+01 1.84 3.768973580e+00 1.107105894e+01 1.503100039e+01 1.86 2.982110360e+00 9.878786476e+00 1.361960150e+01 1.88 2.252016291e+00 8.765812077e+00 1.229989091e+01 1.90 1.575208404e+00 7.726445699e+00 1.106507224e+01 1.92 9.484406527e-01 6.755543735e+00 9.909042718e+00 1.94 3.686654949e-01 5.848449854e+00 8.826313165e+00 1.96 -1.669816547e-01 5.000943323e+00 7.811938384e+00 1.98 -6.611949133e-01 4.209193616e+00 6.861456373e+00 2.00 -1.116509268e+00 3.469720562e+00 5.970835303e+00 2.02 -1.535310875e+00 2.779356999e+00 5.136427230e+00 2.04 -1.919846471e+00 2.135203796e+00 4.354920644e+00 2.06 -2.272231976e+00 1.534567093e+00 3.623256551e+00 2.08 -2.594460384e+00 9.749175632e-01 2.938570287e+00 2.10 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2.46 -4.939734291e+00 -4.333320262e+00 -3.909753485e+00 2.48 -4.938892651e+00 -4.426465928e+00 -4.050966886e+00 2.50 -4.930952649e+00 -4.507834196e+00 -4.177934927e+00 2.52 -4.916449201e+00 -4.578140334e+00 -4.291472505e+00 2.54 -4.895885866e+00 -4.638062976e+00 -4.392355245e+00 2.56 -4.869736467e+00 -4.688245826e+00 -4.481321222e+00 2.58 -4.838446639e+00 -4.729299296e+00 -4.559072626e+00 2.60 -4.802435298e+00 -4.761802070e+00 -4.626277354e+00 2.62 -4.762096041e+00 -4.786302589e+00 -4.683570534e+00 2.64 -4.717798474e+00 -4.803320480e+00 -4.731555983e+00 2.66 -4.669889483e+00 -4.813347920e+00 -4.770807611e+00 2.68 -4.618694430e+00 -4.816850927e+00 -4.801870752e+00 2.70 -4.564518303e+00 -4.814270612e+00 -4.825263459e+00 2.72 -4.507646804e+00 -4.806024360e+00 -4.841477720e+00 2.74 -4.448347381e+00 -4.792506960e+00 -4.850980646e+00 2.76 -4.386870216e+00 -4.774091692e+00 -4.854215587e+00 2.78 -4.323449154e+00 -4.751131353e+00 -4.851603221e+00 2.80 -4.258302600e+00 -4.723959250e+00 -4.843542576e+00 2.82 -4.191634358e+00 -4.692890132e+00 -4.830412029e+00 2.84 -4.123635034e+00 -4.658221097e+00 -4.812570241e+00 2.86 -4.054514748e+00 -4.620232443e+00 -4.790357072e+00 2.88 -3.984514956e+00 -4.579188489e+00 -4.764094440e+00 2.90 -3.913558913e+00 -4.535338357e+00 -4.734087154e+00 2.92 -3.841875577e+00 -4.488916716e+00 -4.700623706e+00 2.94 -3.769629338e+00 -4.440144492e+00 -4.663977030e+00 2.96 -3.696942224e+00 -4.389229553e+00 -4.624405225e+00 2.98 -3.623927086e+00 -4.336367351e+00 -4.582152255e+00 3.00 -3.550688142e+00 -4.281741546e+00 -4.537448606e+00 3.02 -3.477321483e+00 -4.225524593e+00 -4.490511925e+00 3.04 -3.403915562e+00 -4.167878316e+00 -4.441547627e+00 3.06 -3.330551661e+00 -4.108954433e+00 -4.390749473e+00 3.08 -3.257304330e+00 -4.048895058e+00 -4.338300125e+00 3.10 -3.184241812e+00 -3.987833243e+00 -4.284371678e+00 3.12 -3.111426445e+00 -3.925893406e+00 -4.229126166e+00 3.14 -3.038915047e+00 -3.863191791e+00 -4.172716043e+00 3.16 -2.966759286e+00 -3.799836900e+00 -4.115284650e+00 3.18 -2.895006031e+00 -3.735929905e+00 -4.056966654e+00 3.20 -2.823697689e+00 -3.671565040e+00 -3.997888471e+00 3.22 -2.752872531e+00 -3.606829981e+00 -3.938168668e+00 3.24 -2.682565005e+00 -3.541806211e+00 -3.877918350e+00 3.26 -2.612806029e+00 -3.476569365e+00 -3.817241523e+00 3.28 -2.543623288e+00 -3.411189565e+00 -3.756235449e+00 3.30 -2.475041506e+00 -3.345731747e+00 -3.694990979e+00 3.32 -2.407082714e+00 -3.280255966e+00 -3.633592871e+00 3.34 -2.339766517e+00 -3.214817700e+00 -3.572120098e+00 3.36 -2.273110338e+00 -3.149468141e+00 -3.510646133e+00 3.38 -2.207129664e+00 -3.084254469e+00 -3.449239233e+00 3.40 -2.141838286e+00 -3.019220135e+00 -3.387962695e+00 3.42 -2.077248523e+00 -2.954405117e+00 -3.326875116e+00 3.44 -2.013371447e+00 -2.889846181e+00 -3.266030627e+00 3.46 -1.950217101e+00 -2.825577131e+00 -3.205479124e+00 3.48 -1.887794705e+00 -2.761629058e+00 -3.145298926e+00 3.50 -1.826112862e+00 -2.698030574e+00 -3.086319409e+00 3.52 -1.765179749e+00 -2.634808049e+00 -3.030401908e+00 3.54 -1.705003311e+00 -2.571985844e+00 -2.974119832e+00 3.56 -1.645591436e+00 -2.509586531e+00 -2.915459862e+00 3.58 -1.586952130e+00 -2.447631116e+00 -2.857318730e+00 3.60 -1.529093678e+00 -2.386139259e+00 -2.799722196e+00 3.62 -1.472024794e+00 -2.325129477e+00 -2.742693254e+00 3.64 -1.415754764e+00 -2.264619360e+00 -2.686252281e+00 3.66 -1.360293569e+00 -2.204625766e+00 -2.630417172e+00 3.68 -1.305651999e+00 -2.145165018e+00 -2.575203475e+00 3.70 -1.251841750e+00 -2.086253092e+00 -2.520624513e+00 3.72 -1.198875500e+00 -2.027905796e+00 -2.466691505e+00 3.74 -1.146766970e+00 -1.970138943e+00 -2.413413677e+00 3.76 -1.095530961e+00 -1.912968507e+00 -2.360798366e+00 3.78 -1.045183371e+00 -1.856410774e+00 -2.308851127e+00 3.80 -9.957411831e-01 -1.800482478e+00 -2.257575822e+00 3.82 -9.472224340e-01 -1.745200913e+00 -2.206974716e+00 3.84 -8.996461518e-01 -1.690584039e+00 -2.157048558e+00 3.86 -8.530322673e-01 -1.636650561e+00 -2.107796665e+00 3.88 -8.074014979e-01 -1.583419987e+00 -2.059217000e+00 3.90 -7.627752027e-01 -1.530912667e+00 -2.011306240e+00 3.92 -7.191752111e-01 -1.479149799e+00 -1.964059852e+00 3.94 -6.766236241e-01 -1.428153418e+00 -1.917472154e+00 3.96 -6.351425918e-01 -1.377946343e+00 -1.871536378e+00 3.98 -5.947540680e-01 -1.328552112e+00 -1.826244731e+00 4.00 -5.554795457e-01 -1.279994871e+00 -1.781588451e+00 4.02 -5.193094714e-01 -1.232299243e+00 -1.737557865e+00 4.04 -5.161033051e-01 -1.185490168e+00 -1.694142435e+00 4.06 -6.340143145e-01 -1.139592711e+00 -1.651330818e+00 4.08 -6.671364675e-01 -1.094631848e+00 -1.609110908e+00 4.10 -6.400928623e-01 -1.050632229e+00 -1.567469892e+00 4.12 -6.210478618e-01 -1.007617922e+00 -1.526394295e+00 4.14 -6.022710772e-01 -9.656121386e-01 -1.485870032e+00 4.16 -5.837468218e-01 -9.246369588e-01 -1.445882457e+00 4.18 -5.654593824e-01 -8.847130419e-01 -1.406416416e+00 4.20 -5.473930405e-01 -8.458593443e-01 -1.367456300e+00 4.22 -5.295320983e-01 -8.080928427e-01 -1.328986102e+00 4.24 -5.118609137e-01 -7.714282718e-01 -1.290989479e+00 4.26 -4.943639455e-01 -7.355427760e-01 -1.253449813e+00 4.28 -4.770258097e-01 -6.942320775e-01 -1.216350288e+00 4.30 -4.598313510e-01 -6.381769442e-01 -1.179673961e+00 4.32 -4.427657310e-01 -6.081708313e-01 -1.143403850e+00 4.34 -4.258145357e-01 -5.968401242e-01 -1.107523026e+00 4.36 -4.089639066e-01 -5.774246887e-01 -1.072014715e+00 4.38 -3.922006975e-01 -5.585965079e-01 -1.036862416e+00 4.40 -3.764639279e-01 -5.403315240e-01 -1.002050021e+00 4.42 -3.789536023e-01 -5.226074916e-01 -9.675619616e-01 4.44 -4.242004531e-01 -5.054038681e-01 -9.333833552e-01 4.46 -3.719234976e-01 -4.887016940e-01 -8.995001794e-01 4.48 -2.409631130e-01 -4.724834657e-01 -8.658994547e-01 4.50 -2.356456056e-01 -4.567330070e-01 -8.325694455e-01 4.52 -2.304458050e-01 -4.414353399e-01 -7.994998772e-01 4.54 -2.253618278e-01 -4.265765604e-01 -7.666821692e-01 4.56 -2.203917953e-01 -4.121437187e-01 -7.341096819e-01 4.58 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